Geometry & MOs

Info

ID:	30415
PubChem CID:	841299
Reduced:	NOSCl3H8C12 (1)
Stoich.:	ABCD3E8F12 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-20.9
Dipole, Da:	5.26
IP(EA), eV:	-9.03(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations